Information card for entry 7061398

Structure parameters

• Chemical name: MnL1
• Formula: C45 H61 B Cl Fe Mn N18 O6
• Calculated formula: C36 H34 B Cl Fe Mn N15
• Title of publication: Heterobimetallic cyanide-bridged FeIII(μ-CN)MII complexes (M = Mn and Cu): synthesis, structure and magnetism
• Authors of publication: Ahmed, Sayeed; Kumar, Akhilesh; Mukhopadhyay, Narottam; Lloret, Francesc; Mukherjee, Rabindranath
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 16
• Pages of publication: 7711 - 7720
• a: 9.4725 ± 0.0018 Å
• b: 16.045 ± 0.003 Å
• c: 17.654 ± 0.003 Å
• α: 69.201 ± 0.005°
• β: 75.879 ± 0.006°
• γ: 78.786 ± 0.005°
• Cell volume: 2415.2 ± 0.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.1312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No